%chk=000015055.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015055

0 1
 S    8.191300      -1.976700     -0.1532000    
 S   -8.788000      -1.367600      9.6100003E-02
 O   0.9121000       1.280500       1.721300    
 O  -0.8490000       2.926800      0.1915000    
 O    2.097200       2.497000      -1.548200    
 O   -1.099100     -0.6910000     -0.3157000    
 O    7.315500     -0.6736000      0.2944000    
 O   -7.512800     -0.4341000     -0.3138000    
 O    7.640300      -3.164000      0.4678000    
 O    8.463000      -1.909100      -1.574700    
 O   -8.672000      -2.655600     -0.5571000    
 O   -9.035500      -1.247100       1.518500    
 N    4.011100      0.8976000     -9.3199998E-02
 N   -3.873000     -0.1059000      0.1227000    
 C   0.9834000       1.334200      0.2986000    
 C  -0.4347000       1.632900     -0.2428000    
 C    2.023200       2.396700     -0.1272000    
 C   -1.490800      0.5893000      0.1853000    
 C    3.446600       2.151500      0.3972000    
 C   -2.906500      0.8855000     -0.3291000    
 C    5.378700      0.7278000      0.3750000    
 C   -5.211600      0.2173000     -0.3525000    
 C    5.978000     -0.5575000     -0.1730000    
 C   -6.222100     -0.7971000      0.1587000    
 C    9.675100      -1.536300      0.7149000    
 C   -10.02040     -0.4215000     -0.7616000    
 H    1.287900      0.3471000     -6.8800002E-02
 H  -0.3792000       1.649900      -1.338700    
 H    1.704400       3.374700      0.2544000    
 H   -1.520600      0.5318000       1.280600    
 H    3.442300       2.162200       1.493100    
 H    4.082700       2.982100      6.4300001E-02
 H   -3.219900       1.878200      1.3100000E-02
 H   -2.888300      0.8924000      -1.426100    
 H    3.989700      0.8897000      -1.112600    
 H   -3.869800     -0.1488000       1.141400    
 H    1.732400      0.8702000       2.042900    
 H   -1.564200       3.222100     -0.3965000    
 H    2.708100       3.222500      -1.762800    
 H   -1.765700      -1.335100     -2.1299999E-02
 H    6.007500       1.572700      6.6399999E-02
 H    5.411300      0.6973000       1.471300    
 H   -5.514600       1.218700     -2.1100000E-02
 H   -5.240600      0.2282000      -1.449200    
 H    5.401400      -1.426000      0.1656000    
 H    5.982500     -0.5448000      -1.269000    
 H   -5.975600      -1.802000     -0.2032000    
 H   -6.234000     -0.8118000       1.254600    
 H    9.454500      -1.470100       1.781900    
 H    10.41800      -2.316100      0.5350000    
 H    10.03790     -0.5801000      0.3330000    
 H   -9.778800     -0.4080000      -1.826100    
 H   -10.98810     -0.9026000     -0.6046000    
 H   -10.03660      0.5909000     -0.3538000    


%chk=000015055-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015055

0 1
S 7.769599 -2.038401 0.950029
S -8.463226 -1.651857 -0.001413
O 1.426218 0.193763 -1.112228
O 0.115984 2.240138 0.596629
O 2.965580 2.592507 -2.635171
O -1.916069 1.099383 -2.300968
O 6.179345 -1.173635 1.452002
O -7.226239 -0.241678 0.123796
O 7.562143 -3.636610 0.839902
O 8.402417 -1.219321 -0.299703
O -9.302881 -1.572081 -1.379639
O -7.694212 -3.023124 0.398684
N 3.855817 1.034820 -0.460319
N -3.543804 0.048718 -0.347044
C 1.049375 1.533584 -1.549763
C -0.239996 1.969055 -0.816071
C 2.175585 2.590186 -1.374018
C -1.333263 0.889485 -0.967722
C 3.118353 2.301505 -0.185324
C -2.464449 0.978612 0.080039
C 4.797438 0.623251 0.602187
C -4.868944 0.254661 0.275205
C 5.316663 -0.795457 0.308738
C -5.925407 -0.539806 -0.516129
C 8.655686 -1.611393 2.569897
C -9.518951 -1.016115 1.438630
H 0.800761 1.500072 -2.629910
H -0.631359 2.894632 -1.294247
H 1.711002 3.585319 -1.219883
H -0.849121 -0.107459 -0.906679
H 2.504292 2.171816 0.722489
H 3.811110 3.161854 -0.028376
H -2.073219 0.757570 1.097551
H -2.897157 2.000054 0.078512
H 4.299843 1.094906 -1.390818
H -3.235132 -0.932195 -0.274998
H 2.402180 0.232860 -0.797144
H -0.664930 2.642673 1.051898
H 3.473048 3.441738 -2.697144
H -2.801338 0.633049 -2.258121
H 5.663422 1.314511 0.709957
H 4.253726 0.618141 1.564370
H -4.916284 -0.044993 1.346476
H -5.113201 1.330944 0.220236
H 4.485059 -1.516481 0.229358
H 5.907926 -0.801839 -0.630641
H -5.942004 -0.220028 -1.572545
H -5.718651 -1.628776 -0.454890
H 8.028606 -2.024604 3.370525
H 9.641251 -2.093226 2.512566
H 8.715155 -0.516600 2.604906
H -9.814969 0.004579 1.163878
H -10.375487 -1.700137 1.511503
H -8.872692 -1.043274 2.324648


